Molecular dynamics calculations of partial molar volumes of amino acids in aqueous solutions.
- Published in:
- Canadian Journal of Chemistry, 2022, v. 100, n. 8, p. 575, doi. 10.1139/cjc-2021-0217
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- Article
Works matching AU Weinberg, Noham
Results: 23
1
2
Theoretical analysis of high-pressure effects on conformational equilibria.
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- Canadian Journal of Chemistry, 2018, v. 96, n. 2, p. 178, doi. 10.1139/cjc-2017-0411
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- Publication type:
- Article
3
A comparative analysis of empirical equations describing pressure dependence of equilibrium and reaction rate constants.
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- Canadian Journal of Chemistry, 2017, v. 95, n. 2, p. 149, doi. 10.1139/cjc-2016-0454
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- Publication type:
- Article
4
Effect of high pressure on the topography of potential energy surfaces.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1057, doi. 10.1139/cjc-2016-0295
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- Publication type:
- Article
5
A model study of topological trends in random sets of asphaltene hydrocarbons.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 12, p. 1186, doi. 10.1139/cjc-2013-0266
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- Publication type:
- Article
6
Hydrogen transfer reactions in viscous media - Potential and free energy surfaces in solvent-solute coordinates and their kinetic implications.
- Published in:
- Canadian Journal of Chemistry, 2013, v. 91, n. 9, p. 787, doi. 10.1139/cjc-2012-0554
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- Publication type:
- Article
7
Partition coefficients of disparlure at hydrophobic/aqueous interfaces: A comparative experimental and theoretical study.
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- Canadian Journal of Chemistry, 2011, v. 89, n. 5, p. 568, doi. 10.1139/v11-035
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- Publication type:
- Article
8
Nonequilibrium solvent effects in reaction kinetics -- Steady-state solutions for the Agmon-Hopfield two-dimensional stochastic model.
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- Canadian Journal of Chemistry, 2010, v. 88, n. 8, p. 839, doi. 10.1139/V10-045
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- Publication type:
- Article
9
The neutral hydrolysis of methyl acetate — Part 2. Is there a tetrahedral intermediate?
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- Canadian Journal of Chemistry, 2009, v. 87, n. 4, p. 544, doi. 10.1139/V09-011
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- Publication type:
- Article
10
The neutral hydrolysis of methyl acetate — Part 1. Kinetic experiments.
- Published in:
- Canadian Journal of Chemistry, 2009, v. 87, n. 4, p. 539, doi. 10.1139/V09-003
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- Publication type:
- Article
11
Co-operative hydration of the carbonyl group — "Bifunctional catalysis" by 2-hydroxypyridine is achieved via a dihydrate of 2-pyridone.
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- Canadian Journal of Chemistry, 2008, v. 86, n. 2, p. 81, doi. 10.1139/V07-074
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- Publication type:
- Article
12
Component analysis of the X-C-Y anomeric effect (X = O, S; Y = F, OMe, NHMe) by DFT molecular orbital calculations and natural bond orbital analysis.
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- Canadian Journal of Chemistry, 2006, v. 84, n. 4, p. 692, doi. 10.1139/v06-048
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- Publication type:
- Article
13
Hydration of the carbonyl group — Acetic acid catalysis in the co-operative mechanism.
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- Canadian Journal of Chemistry, 2005, v. 83, n. 6/7, p. 769, doi. 10.1139/V05-027
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- Publication type:
- Article
14
A comprehensive computational examination of transannular Diels–Alder reactions of unsubstituted C14 trienes — Barriers, template effects, and the Curtin–Hammett principle.
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- Canadian Journal of Chemistry, 2001, v. 79, n. 8, p. 1284, doi. 10.1139/cjc-79-8-1284
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- Publication type:
- Article
15
On the Osipov–Pickup–Dunmur chirality index: why pseudoscalar functions are generally unsuitable to quantify chirality.
- Published in:
- Molecular Physics, 2005, v. 103, n. 20, p. 2769, doi. 10.1080/00268970500217196
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- Publication type:
- Article
16
A Newtonian algorithm for constant pressure molecular dynamics with periodic boundary conditions.
- Published in:
- Molecular Physics, 2022, v. 120, n. 10, p. 1, doi. 10.1080/00268976.2022.2060145
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- Publication type:
- Article
17
Molecular dynamic studies of the solubility of sodium chloride: fast calculations using seed crystalline cluster probe.
- Published in:
- Molecular Physics, 2015, v. 113, n. 21, p. 3176, doi. 10.1080/00268976.2015.1011247
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- Publication type:
- Article
18
Molecular dynamics study of reaction kinetics in viscous media.
- Published in:
- Molecular Physics, 2011, v. 109, n. 15, p. 1901, doi. 10.1080/00268976.2011.598136
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- Publication type:
- Article
19
Reactions in viscous media: potential and free energy surfaces in solvent-solute coordinates.
- Published in:
- Molecular Physics, 2009, v. 107, n. 21, p. 2283, doi. 10.1080/00268970903272889
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- Publication type:
- Article
20
Alkyl Transfer with Retention and Inversion of Configuration: Reexamination of a Putative [1s,4s] Sigmatropic Rearrangement.
- Published in:
- Chemistry - A European Journal, 1998, v. 4, n. 5, p. 886, doi. 10.1002/(SICI)1521-3765(19980515)4:5<886::AID-CHEM886>3.0.CO;2-G
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- Publication type:
- Article
21
Molecular dynamics simulations of oil components at geological conditions.
- Published in:
- High Pressure Research, 2009, v. 29, n. 4, p. 587, doi. 10.1080/08957950903484410
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- Publication type:
- Article
22
The constitution of 2-hydroxypyridine in aqueous solution.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 1, p. 265, doi. 10.1007/s00214-007-0321-7
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- Publication type:
- Article
23
How quickly do knotty molecules lose their energy as they grow?
- Published in:
- Journal of Physical Organic Chemistry, 2004, v. 17, n. 9, p. 793, doi. 10.1002/poc.796
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- Publication type:
- Article